Oleanoglycotoxin-A
TL;DR: Oleanoglycotoxin-A (CAS 50657-29-9) is a chemical compound with molecular formula C48H78O18 and molecular weight 942.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Oleanoglycotoxin-A, Oleanoglycotoxin A, (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, Olean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-4))-beta-D-glucopyranosyl)oxy)-, (3-beta)-, (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
| Molecular Formula | C48H78O18 |
|---|---|
| Molecular Weight | 942.52 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 295.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 942.5188 |
| Heavy Atoms | 66 |
| Complexity | 1800.0 |
Chemical Identifiers
| CAS Number | 50657-29-9 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O |
| InChIKey | IPJFUYXEIWFMMG-ZFZFIKJNSA-N |
Product Overview
Oleanoglycotoxin-A (CAS 50657-29-9), with molecular formula C48H78O18 and molecular weight 942.52 g/mol. IUPAC: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Oleanoglycotoxin-A
Property Insights of Oleanoglycotoxin-A
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oleanoglycotoxin-A. The TPSA of 295.0 Ų indicates high polarity, suggesting Oleanoglycotoxin-A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oleanoglycotoxin-A has 11 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oleanoglycotoxin-A?
The CAS number of Oleanoglycotoxin-A is 50657-29-9.
What is the molecular formula of Oleanoglycotoxin-A?
The molecular formula of Oleanoglycotoxin-A is C48H78O18.
What is the molecular weight of Oleanoglycotoxin-A?
The molecular weight of Oleanoglycotoxin-A is 942.52 g/mol.
Where can I buy Oleanoglycotoxin-A?
You can request a quote for Oleanoglycotoxin-A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oleanoglycotoxin-A?
Yes, KEHONG BIO provides custom synthesis services for Oleanoglycotoxin-A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.